SCHEMBL16794255

SCHEMBL16794255

Cc1cc(-c2ccnc(NC(C)C)n2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.76
▸ JAK2 O60674 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ CD69 Q07108 1/20 0.42
▸ AAK1 Q2M2I8 1/20 0.42
▸ MAP3K19 Q56UN5 1/20 0.42
▸ CDKL2 Q92772 1/20 0.42
▸ RIOK1 Q9BRS2 1/20 0.42
▸ RIOK2 Q9BVS4 1/20 0.42
▸ BMP2K Q9NSY1 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16794153 0.92 BTK (0.77) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16793893 0.90 BTK (0.80) BTK
SCHEMBL29676666 0.90 BTK (0.67) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16793772 0.90 BTK (0.67) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16794308 0.90 BTK (0.67) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16793774 0.90 BTK (0.67) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16794341 0.89 BTK (0.77) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL20461110 0.87 BTK (0.83) BTKAAK1
SCHEMBL16794029 0.86 BTK (0.82) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16794171 0.86 BTK (1.00) BTK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113801108-B Protein kinase inhibitor and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2024-02-27 — — CN claimed
US-12630533-B2 Heterocyclic compounds useful as KCNT1 inhibitors ACTIO BIOSCIENCES, INC. (US) 2026-05-19 — — US disclosed
WO-2025229624-A2 NEW CD38 INHIBITORS NAPA THERAPEUTICS LIMITED (GB) 2025-11-06 — — WO disclosed
US-20250313548-A1 HETEROCYCLIC COMPOUNDS USEFUL AS KCNT1 INHIBITORS ACTIO BIOSCIENCES, INC. 2025-10-09 — — US disclosed
US-12213969-B2 2-spiro-5- and 6-hydroxamic acid indanes as HDAC inhibitors VALO HEALTH, INC. (US) 2025-02-04 — — US disclosed
CN-118515600-A Isoindoline compound and medical application thereof 中国科学院上海药物研究所 2024-08-20 — — CN disclosed
CN-118359638-A Compound serving as RET kinase inhibitor and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-07-19 — — CN disclosed
CN-116284043-B Tricyclic compound and medical application thereof 中国科学院上海药物研究所 2024-06-11 — — CN disclosed
CN-113801108-B Protein kinase inhibitor and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2024-02-27 — — CN disclosed
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-18 — — US disclosed
EP-3080103-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-04-18 — — EP disclosed
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-04-05 — — US disclosed
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-04-05 — — US disclosed
US-9809577-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2017-11-07 — — US disclosed
US-9809577-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2017-11-07 — — US disclosed
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 — — US disclosed
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 — — US disclosed
EP-3080103-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2016-10-19 — — EP disclosed
WO-2015089337-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 — — WO disclosed
WO-2015089337-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN BTK 2/4885JAK2 20/4885CYP3A4 2559/4885
US-20250313548-A1 HETEROCYCLIC COMPOUNDS USEFUL AS KCNT1 INHIBITORS KCNT1, KCNT2, KCNN3 BTK 3565/4885JAK2 3378/4885CYP3A4 826/4885
US-12630533-B2 Heterocyclic compounds useful as KCNT1 inhibitors KCNT1, KCNT2, KCNJ2 BTK 2996/4885JAK2 1080/4885CYP3A4 741/4885
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN BTK 2/4885JAK2 20/4885CYP3A4 2559/4885
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF STAT4, STAT1, STAT3 BTK 12/4885JAK2 4/4885CYP3A4 143/4885
US-12213969-B2 2-spiro-5- and 6-hydroxamic acid indanes as HDAC inhibitors HDAC5, HDAC2, HDAC1 BTK 820/4885JAK2 758/4885CYP3A4 3204/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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